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Файл:Ординатура / Хирургия / Библиотека им академика М.И. Перельмана / Книга_5387_Библиотеки_им_академика_М_И_Перельмана.pdf
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- •Contents
- •Foreword
- •Preface
- •About the Editors
- •Contributors
- •References
- •2.3.4 Barriers to Automation Adoption
- •2.4 Core Ingredients for Successful Digital Transformation
- •2.1 Introduction
- •2.3.1 Operational Challenges
- •2.3.2 Cultural Challenges
- •2.4.2 Cloud Computing
- •2.5 Case Studies of Successful Digital Transformation
- •2.6 Conclusion
- •References
- •3. Computational Protein Design Strategies for Optimization of Antigen Generation to Drive Antibody Discovery
- •3.1 Introduction
- •3.3 Antigen Generation Strategies
- •3.4 Computational Methods
- •3.4.2 Computational Protein Structure Prediction
- •References
- •4. Bioinformatic Analyses of Antibody Repertoires and Their Roles in Modern Antibody Drug Discovery
- •4.1 Introduction
- •4.6 Summary and Future Directions
- •Acknowledgments
- •References
- •5.1 Introduction
- •5.2 Databases
- •5.2.1 Databases in Machine Learning Approaches
- •5.2.2 Database Types
- •5.3 Applications of Machine Learning in Antibody Discovery and Development
- •5.3.1 Structure Prediction with Deep Learning
- •5.3.3 Developability
- •5.4 Antibody Generation and Design by Language Models
- •5.4.1 Antibody Representations
- •5.4.2 Representation Learning
- •5.4.3 Language Models
- •References
- •6.1 Introduction
- •6.2 Antibody Generation through Deep Generative Models
- •6.3.1 Sampling and Scoring
- •6.5 Conclusions and Perspectives
- •Acknowledgments
- •References
- •7.1 Introduction
- •7.2.3 Computational Approaches to Predict Antibody–Antigen Interaction
- •7.3 Conclusion
- •Competing Interests
- •Acknowledgments
- •References
- •8.2 Common Types of Molecular Simulations for Biomolecules
- •8.2.1 Molecular Dynamics (MD) Simulations
- •8.2.2 Monte Carlo (MC) Simulations
- •8.2.3 Challenges of Molecular Simulations
- •8.3.1 Periodic Boundary Conditions
- •8.4 Uses of Molecular Simulation in Antibody Drug Development
- •8.5 Conclusion
- •References
- •9. Considerations of Developability During the Early Stages of Antibody Drug Discovery and Design
- •9.1 Introduction
- •9.2 Historical Perspective
- •9.3 Clinical Antibody Data Set
- •9.5 Control Antibodies
- •9.7 Assessment of Chemical Liabilities
- •9.8 Conclusions and Future Perspectives
- •Acknowledgments
- •References
- •Abbreviations
- •10.1 Introduction
- •10.4.1 Conclusions and Outlook
- •Acknowledgments
- •References
- •11.8 Conclusions and Future Directions
- •References
- •12.1 Introduction to PK/PD and QSP Modeling
- •12.1.1 PK/PD Modeling
- •12.1.2 QSP Modeling
- •12.2.1 Monoclonal Antibodies (mAbs)
- •12.2.3 Cell Therapies
- •12.2.4 Gene Therapies
- •12.2.5 Vaccines
- •12.2.6 mRNA/siRNA/Oligonucleotide Therapeutics
- •12.4 Case Studies
- •12.5 Conclusions and Future Perspectives
- •References
- •13.1 Introduction
- •13.2 AI/ML: A Game Changer for Antibody Design
- •13.3 Multispecific Antibody Design
- •13.4 Adapting AI to the Design of Multispecific Antibodies
- •13.4.1 Structure Prediction and Modeling
- •13.4.2 Developability Prediction and Optimization
- •13.4.4 In Silico Modeling and Simulation
- •13.5 The Future: Beyond Optimization
- •13.5.1 Market Trends and Commercialization
- •13.5.2 Logic Gates, Biosensors, and De Novo Design
- •13.5.3 Challenges and Opportunities
- •13.6 Conclusion
- •Acknowledgments
- •References
- •Index

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